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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H1 receptor' and Ligand = 'BDBM50205359'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50205359
PNG
(CHEMBL3917428)
Show SMILES OC(=O)CCc1ccc2cc(Cc3ccccc3)cc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1
Show InChI InChI=1S/C40H50N4O3/c45-39(46)18-15-36-14-13-35-30-34(29-33-9-4-3-5-10-33)31-38(40(35)41-36)44-26-24-43(25-27-44)23-19-32-11-16-37(17-12-32)47-28-8-22-42-20-6-1-2-7-21-42/h3-5,9-14,16-17,30-31H,1-2,6-8,15,18-29H2,(H,45,46)
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Article
PubMed
 25n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human Histamine H1 receptor expressed in CHO cells assessed as inhibition of histamine-induced calcium flux preincubated for 3...

Bioorg Med Chem Lett 26: 5855-5859 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.022
BindingDB Entry DOI: 10.7270/Q2DZ0B8Q
More data for this
Ligand-Target Pair